2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide

C7H15N3O2 — CID 177056056

IUPAC2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCNCC1CO
InChIInChI=1S/C7H15N3O2/c1-8-7(12)10-3-2-9-4-6(10)5-11/h6,9,11H,2-5H2,1H3,(H,8,12)
InChIKeyHECASKGUXYRDMV-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.41
Rot. Bonds1

About 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide

2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide (PubChem CID 177056056) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide
PubChem CID177056056
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCNCC1CO
InChIInChI=1S/C7H15N3O2/c1-8-7(12)10-3-2-9-4-6(10)5-11/h6,9,11H,2-5H2,1H3,(H,8,12)
InChIKeyHECASKGUXYRDMV-UHFFFAOYSA-N
XLogP-1.41
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide (CID 177056056) is 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCNCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is HECASKGUXYRDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-8-7(12)10-3-2-9-4-6(10)5-11/h6,9,11H,2-5H2,1H3,(H,8,12).
What are the key properties of 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide?
2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 173.22 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 177056056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).